2,2-dimethylpropanoate; palladium(2+); triphenylphosphane

Systemtic Name: 2,2-dimethylpropanoate; palladium(2+); triphenylphosphane Openeye Name: 2,2-dimethylpropanoate; palladium(2+); triphenylphosphane CAS Name: 2,2-dimethylpropanoate; palladium(2+); triphenylphosphine IUPAC Name: 2,2-dimethylpropanoate; palladium(2+); triphenylphosphane Traditional Name: 2,2-dimethylpropionate; palladium(2+); triphenylphosphine Formula: C46H46O4P2Pd2 MolecularWeight: 937.642562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C[C-]=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C[C-]=CC=C3.[Pd+2].[Pd+2]

Isomeric SMILES

CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C[C-]=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C[C-]=CC=C3.[Pd+2].[Pd+2]

InChI

InChI=1S/2C18H14P.2C5H10O2.2Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-5(2,3)4(6)7;;/h2*1-8,10-15H;2*1-3H3,(H,6,7);;/q2*-1;;;2*+2/p-2